(S)-(5,5-dimethylpyrrolidin-2-yl)-(2-fluorophenyl)methanol

C13H18FNO — CID 155127118

IUPAC(S)-(5,5-dimethylpyrrolidin-2-yl)-(2-fluorophenyl)methanol
SMILESCC1(C)CCC([C@@H](O)c2ccccc2F)N1
InChIInChI=1S/C13H18FNO/c1-13(2)8-7-11(15-13)12(16)9-5-3-4-6-10(9)14/h3-6,11-12,15-16H,7-8H2,1-2H3/t11?,12-/m0/s1
InChIKeyLXVWAGLYKRPOQV-KIYNQFGBSA-N
MW223.29 g/mol
LogP2.39
Rot. Bonds2

About (S)-(5,5-dimethylpyrrolidin-2-yl)-(2-fluorophenyl)methanol

(S)-(5,5-dimethylpyrrolidin-2-yl)-(2-fluorophenyl)methanol (PubChem CID 155127118) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (S)-(5,5-dimethylpyrrolidin-2-yl)-(2-fluorophenyl)methanol.

Molecular Properties

Compound Name(S)-(5,5-dimethylpyrrolidin-2-yl)-(2-fluorophenyl)methanol
PubChem CID155127118
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(S)-(5,5-dimethylpyrrolidin-2-yl)-(2-fluorophenyl)methanol
SMILESCC1(C)CCC([C@@H](O)c2ccccc2F)N1
InChIInChI=1S/C13H18FNO/c1-13(2)8-7-11(15-13)12(16)9-5-3-4-6-10(9)14/h3-6,11-12,15-16H,7-8H2,1-2H3/t11?,12-/m0/s1
InChIKeyLXVWAGLYKRPOQV-KIYNQFGBSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-6,6-dimethylpiperidin-2-yl]-(2-fluorophenyl)methanol
CID 155126963
(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-phenylmethanol
CID 162391375
(4-amino-3,5-difluorophenyl)-[(2R)-5,5-dimethylpyrrolidin-2-yl]methanol
CID 155127140
3-[(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-hydroxymethyl]phenol
CID 155134303
(S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol
CID 155127031
bis(2-fluorophenyl)methanol
CID 18424663
(4-ethylcyclohexyl)-(2-fluorophenyl)methanol
CID 64749746
(2-fluorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115781704
1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol
CID 107165971
(2-fluorophenyl)-(oxolan-3-yl)methanol
CID 63565123
(2-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754393
tert-butyl (4R)-4-[(S)-(2-fluorophenyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylate
CID 155694899

Frequently Asked Questions

What is the IUPAC name of (S)-(5,5-dimethylpyrrolidin-2-yl)-(2-fluorophenyl)methanol?
The IUPAC name of (S)-(5,5-dimethylpyrrolidin-2-yl)-(2-fluorophenyl)methanol (CID 155127118) is (S)-(5,5-dimethylpyrrolidin-2-yl)-(2-fluorophenyl)methanol.
What is the SMILES notation for (S)-(5,5-dimethylpyrrolidin-2-yl)-(2-fluorophenyl)methanol?
The canonical SMILES for (S)-(5,5-dimethylpyrrolidin-2-yl)-(2-fluorophenyl)methanol is CC1(C)CCC([C@@H](O)c2ccccc2F)N1.
What is the InChIKey of (S)-(5,5-dimethylpyrrolidin-2-yl)-(2-fluorophenyl)methanol?
The InChIKey is LXVWAGLYKRPOQV-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(2)8-7-11(15-13)12(16)9-5-3-4-6-10(9)14/h3-6,11-12,15-16H,7-8H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of (S)-(5,5-dimethylpyrrolidin-2-yl)-(2-fluorophenyl)methanol?
(S)-(5,5-dimethylpyrrolidin-2-yl)-(2-fluorophenyl)methanol has a molecular weight of 223.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(5,5-dimethylpyrrolidin-2-yl)-(2-fluorophenyl)methanol is sourced from PubChem (CID 155127118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).